Name: (2R,3R)-2-[[(2S)-3-carboxy-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylpentanoic acid

SMILES: CCC(C)C(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Molecular Processing

Molecular formula

C25H30N2O7

Molecular weight

470.52

Exact mass

470.2053

XLogP

2.84

TPSA

142.03

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.36

Molar refractivity

123.84

Supplementary Information

InChIKey: ZEOWGJFFHUBHOW-ZNDGOPKYSA-N

Synonyme

SCHEMBL7757126ZEOWGJFFHUBHOW-ZNDGOPKYSA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-isoleucine